5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-oxo-1-phenyl-2-(1-piperidyl)ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-(2-keto-1-phenyl-2-piperidino-ethyl)-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C18H19N5O2S/c24-16-13-15(20-21-16)19-11-23(18(13)26)14(12-7-3-1-4-8-12)17(25)22-9-5-2-6-10-22/h1,3-4,7-8,11,14H,2,5-6,9-10H2,(H2,20,21,24)